SCHEMBL755671

SCHEMBL755671

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ccc(C(=O)O)c(C(F)(F)F)c3)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.33
CMA1 P23946 2/20 0.33
PTGER4 P35408 1/20 0.32
NOTUM Q6P988 2/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPARG P37231 2/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
PPOX P50336 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
S1PR2 O95136 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL480873 1.00 RHEB (0.33) RHEBCMA1PTGER4NOTUMHRH1
SCHEMBL480687 0.94 S1PR2 (0.34) PTGER4PPARGMEN1TTRPPOX
SCHEMBL753353 0.94 S1PR2 (0.34) PTGER4PPARGMEN1TTRPPOX
SCHEMBL480737 0.91 P2RX3 (0.33) PTGER4PPARGS1PR2PPARDPPARA
SCHEMBL480129 0.91 P2RX3 (0.33) PTGER4PPARGS1PR2PPARDPPARA
SCHEMBL480726 0.91 P2RX3 (0.33) PTGER4PPARGS1PR2PPARDPPARA
SCHEMBL480632 0.91 PTGER4 (0.33) PTGER4MEN1TTRPPOXKMT2A
SCHEMBL754978 0.91 PTGER4 (0.33) PTGER4MEN1TTRPPOXKMT2A
SCHEMBL480623 0.90 P2RX3 (0.33) PTGER4MEN1TTRPPOXKMT2A
SCHEMBL752382 0.90 P2RX3 (0.33) PTGER4MEN1TTRPPOXKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 RHEB 519/4885CMA1 1354/4885PTGER4 543/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.